[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-[cyclopropyl-(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H22FNO5 MolecularWeight: 387.401483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC(=O)N(CC2=CC=CC=C2F)C3CC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC(=O)N(CC2=CC=CC=C2F)C3CC3)OC

InChI

InChI=1S/C21H22FNO5/c1-26-17-9-15(10-18(11-17)27-2)21(25)28-13-20(24)23(16-7-8-16)12-14-5-3-4-6-19(14)22/h3-6,9-11,16H,7-8,12-13H2,1-2H3